Information card for entry 4338734

Structure parameters

• Formula: C57 H32 N5 O13 Zn3
• Calculated formula: C57 H32 N5 O13 Zn3
• Title of publication: Stoichiometry-Controlled Two Flexible Interpenetrated Frameworks: Higher CO2 Uptake in a Nanoscale Counterpart Supported by Accelerated Adsorption Kinetics.
• Authors of publication: Sikdar, Nivedita; Hazra, Arpan; Maji, Tapas Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5993 - 6002
• a: 14.1046 ± 0.0005 Å
• b: 19.926 ± 0.0007 Å
• c: 25.9898 ± 0.0009 Å
• α: 90°
• β: 90.005 ± 0.001°
• γ: 90°
• Cell volume: 7304.4 ± 0.4 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No